• Drug Bank
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Records 381 to 400 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB00512 mol2, pdbqt 530,49 -9,422 1449,27 -6,7507 33 19 3 1,8284 0,235459668207513 BBB- HIA- Caco2-
DB00513 mol2, pdbqt 63,32 -1,108 131,174 -1,5328 3 2 0 -13,662 0,106211107435303 BBB+ HIA+ Caco2-
DB00514 mol2, pdbqt 12,47 -3,516 271,402 3,1764 2 0 0 -0,33388 0,580364933375843 BBB+ HIA+ Caco2+
DB00515 mol2, pdbqt 52,04 -1,932 298,032 0 2 2 0 -1,7675 0,321359439589273 BBB+ HIA+ Caco2-
DB00517 mol2, pdbqt 29,54 -2,861 282,446 2,4006 3 0 0 2,1962 0,839045279311068 BBB+ HIA+ Caco2+
DB00518 mol2, pdbqt 92,31 -4,105 265,336 2,9642 5 2 0 -2,9435 0,246606292405197 BBB+ HIA+ Caco2-
DB00519 mol2, pdbqt 95,94 -3,641 430,543 0,9603 7 2 0 -6,2163 0,378369388822569 BBB- HIA+ Caco2-
DB00520 mol2, pdbqt 412,03 -3,536 1093,33 -3,1713 25 16 3 -4,5852 0,228958051787081 BBB- HIA+ Caco2-
DB00521 mol2, pdbqt 70,59 -2,738 292,378 1,053 5 3 0 8,1134 0,907596448063845 BBB- HIA+ Caco2-
DB00523 mol2, pdbqt 37,3 -3,478 300,44 5,8207 2 1 1 -4,6002 0,287578616851332 BBB+ HIA+ Caco2+
DB00524 mol2, pdbqt 100,88 -4,61 365,84 2,4448 6 2 0 6,6028 0,563848327238527 BBB+ HIA+ Caco2-
DB00525 mol2, pdbqt 44,56 -5,612 307,416 5,2684 2 0 1 0,20957 0,358920929822685 BBB+ HIA+ Caco2+
DB00526 mol2, pdbqt 104,64 -0,3 397,289 -1,1774 6 2 0 -10,337 0,158804388880146 BBB+ HIA+ Caco2-
DB00527 mol2, pdbqt 54,46 -3,733 343,469 3,5233 5 1 0 2,5252 0,435548309014977 BBB+ HIA+ Caco2+
DB00528 mol2, pdbqt 113,69 -5,996 611,737 4,7102 9 1 1 -2,5904 0,161122284911974 BBB- HIA+ Caco2-
DB00529 mol2, pdbqt 104,64 0,263 126,004 -3,6932 5 3 0 -12,601 0,495899328367393 BBB+ HIA- Caco2-
DB00530 mol2, pdbqt 74,73 -3,527 393,442 3,0713 7 1 0 -5,9718 0,379340480582395 BBB+ HIA+ Caco2+
DB00531 mol2, pdbqt 51,38 -1,895 261,088 0,727 4 1 0 -10,321 0,102136231980381 BBB+ HIA+ Caco2-
DB00534 mol2, pdbqt 64,35 -3,741 367,197 -0,73 4 2 0 2,4001 0,319161180192433 BBB+ HIA+ Caco2-
DB00535 mol2, pdbqt 211,75 -2,753 395,419 0,00030002 10 4 0 12,271 0,843742027114815 BBB- HIA- Caco2-
Page 
 of 344
Records 381 to 400 of 6870
These data are only available for scientific research purposes.